| Properties | Image |
|---|
| MNX_ID | MNXM1185536 |
 |
| reference | envipathM:...c83d27ac5ec0 |
| formula | C58H96O16 |
| global charge | -2 |
| mol weight | 1049.39 |
| InChIKey | UJYNWAVUSGTVHY-UHFFFAOYSA-L |
| InChI | InChI=1S/C58H98O16/c1-3-4-33-47-50(72-47)40-51-48(73-51)34-23-17-15-20-25-36-53(63)69-42-45(71-55(65)38-27-19-13-11-9-7-5-6-8-10-12-14-22-30-39-59)43-70-54(64)37-26-21-16-18-24-35-49-56(74-49)46(60)32-29-28-31-44(2)58(68,57(66)67)41-52(61)62/h5-6,10,12,44-51,56,59-60,68H,3-4,7-9,11,13-43H2,1-2H3,(H,61,62)(H,66,67)/p-2 |
| SMILES | CCCCC1OC1CC1OC1CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC1OC1C(O)CCCCC(C)C(O)(CC(=O)[O-])C(=O)[O-])OC(=O)CCCCCCCC=CCC=CCCCCO |
MNX internals
| InChI (mnx) | InChI=1/C58H98O16/c1-3-4-33-47-50(72-47)40-51-48(73-51)34-23-17-15-20-25-36-53(63)69-42-45(71-55(65)38-27-19-13-11-9-7-5-6-8-10-12-14-22-30-39-59)43-70-54(64)37-26-21-16-18-24-35-49-56(74-49)46(60)32-29-28-31-44(2)58(68,57(66)67)41-52(61)62/h5-6,10,12,44-51,56,59-60,68H,3-4,7-9,11,13-43H2,1-2H3,(H,61,62)(H,66,67)/b6-5?,12-10?/t44?,45?,46?,47?,48?,49?,50?,51?,56?,58? |
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| SMILES (mnx) | [CH3:1][CH2:3][CH2:4][CH2:33][CH:47]1[CH:50]([CH2:40][CH:51]2[CH:48]([CH2:34][CH2:23][CH2:17][CH2:15][CH2:20][CH2:25][CH2:36][C:53](=[O:63])[O:69][CH2:42][CH:45]([CH2:43][O:70][C:54]([CH2:37][CH2:26][CH2:21][CH2:16][CH2:18][CH2:24][CH2:35][CH:49]3[CH:56]([CH:46]([CH2:32][CH2:29][CH2:28][CH2:31][CH:44]([CH3:2])[C:58]([CH2:41][C:52](=[O:61])[OH:62])([C:57](=[O:66])[OH:67])[OH:68])[OH:60])[O:74]3)=[O:64])[O:71][C:55]([CH2:38][CH2:27][CH2:19][CH2:13][CH2:11][CH2:9][CH2:7][CH:5]=[CH:6][CH2:8][CH:10]=[CH:12][CH2:14][CH2:22][CH2:30][CH2:39][OH:59])=[O:65])[O:73]2)[O:72]1 |
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